2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

C17H19ClN2O2 — CID 50809326

IUPAC2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCCc1cc(C2CCCN2C(=O)Cc2cccc(Cl)c2)on1
InChIInChI=1S/C17H19ClN2O2/c1-2-14-11-16(22-19-14)15-7-4-8-20(15)17(21)10-12-5-3-6-13(18)9-12/h3,5-6,9,11,15H,2,4,7-8,10H2,1H3
InChIKeyANFZDCAZTIVWPR-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.80
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 50809326) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID50809326
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCCc1cc(C2CCCN2C(=O)Cc2cccc(Cl)c2)on1
InChIInChI=1S/C17H19ClN2O2/c1-2-14-11-16(22-19-14)15-7-4-8-20(15)17(21)10-12-5-3-6-13(18)9-12/h3,5-6,9,11,15H,2,4,7-8,10H2,1H3
InChIKeyANFZDCAZTIVWPR-UHFFFAOYSA-N
XLogP3.80
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (CID 50809326) is 2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is CCc1cc(C2CCCN2C(=O)Cc2cccc(Cl)c2)on1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is ANFZDCAZTIVWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-14-11-16(22-19-14)15-7-4-8-20(15)17(21)10-12-5-3-6-13(18)9-12/h3,5-6,9,11,15H,2,4,7-8,10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 318.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50809326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).